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Abstract
The structure of the title compound, C27H29N5O4S, displays an intramolecular N—H⋯O hydrogen bond. The pyrrolo[2,3-b]pyridine core makes a dihedral angle of 85.5 (4)° with the benzyl residue and a dihedral angle of 89.4 (9)° with the tosyl ring. The nitro group is slightly twisted out of the plane of the planar pyrrolopyridine system [(—N—)C—C—N—O torsion angle = −4.61 (18)° and (—NH—)C—C—N—O = −6.46 (18)°].
Highlights
The authors would like to thank Maria Leticia Barbosa, Matthias Gehringer and Peter Keck for suggestions and comments
V = 5160.9 (3) A 3 Z=8 Mo K radiation = 0.17 mmÀ1 T = 193 K 0.55 Â 0.32 Â 0.30 mm 5273 reflections with I > 2(I) Rint = 0.049
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BT6839)
Summary
Key indicators: single-crystal X-ray study; T = 193 K; mean (C–C) = 0.002 A; R factor = 0.035; wR factor = 0.101; data-to-parameter ratio = 18.5. The structure of the title compound, C27H29N5O4S, displays an intramolecular N—HÁ Á ÁO hydrogen bond. The pyrrolo[2,3b]pyridine core makes a dihedral angle of 85.5 (4) with the benzyl residue and a dihedral angle of 89.4 (9) with the tosyl ring. The nitro group is slightly twisted out of the plane of the planar pyrrolopyridine system [(—N—)C—C—N—O torsion angle = À4.61 (18) and (—NH—)C—C—N—O = À6.46 (18)]. Related literature For inhibitors of Janus kinases, see: Hoffmann-La Roche (2011)
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